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ASOV 17 Jan 2012

Development of a Solid Spectroscopy Data Model (SSDM) “ G renoble Astrop h ysics and Planet o logy S olid S pectroscopy and T hermodynamics" database service Bernard Schmitt, Damien Albert and the SSDM Expert group* Institut de Planétologie et d’Astrophysique de Grenoble, CNRS / UJF.

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ASOV 17 Jan 2012

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  1. Development of a Solid Spectroscopy Data Model (SSDM) “Grenoble Astrophysics and Planetology Solid Spectroscopy and Thermodynamics" database service Bernard Schmitt, Damien Albert and the SSDM Expert group* Institut de Planétologie et d’Astrophysique de Grenoble, CNRS / UJF ASOV 17 Jan 2012

  2. SSDM General Structure SSDM general structure SAMPLE INSTRUMENT EXPERIMENT SPECTRA BAND LIST REFERENCES

  3. Solid Spectroscopy Data Model PLANNING 2010 « Spectrodatabase » • Relational database advantages • Permits to store a wide range of parameters variations in experiments. • Experiment samples can handle complex structures (multiple layers / materials / constituents / precursors). • Samples and experiments can have a relation to a parent sample/experiment, enabling full history for those. • At term for an advanced use every parameters could be searchable. • Molecule database identification standards available in SSDM : • InChIKey (International Chemical Identifier). • CAS Registry Number (Chemical Abstracts Service). • IUPAC Name SSDM Overview

  4. Spectrum data model PLANNING 2010 « Spectrodatabase » • Spectrum « meta-data » in single table • Spectrum data stored in database • Advanced Spectrum products • Additional spectrum informations displayable Spectrum tables Absorption coefficient tables

  5. LAYER 2 Sample description Sample scientific description LAYER 1 SAMPLE LAYERS MATERIALS (grains: simple or complexe)  mixing SPECIES (molecular, mineral, atomic)  combinations CONSTITUENTS (phases)  arrangement - pure solid, - molecular mixture, - polymer, - clathrate, hydrate, … - adsorption, absorption, … - heterogeneous polycrystal, - coated grains - crystal with adsorbed molecule - complex mix of constituents, …

  6. Sample & Material model PLANNING 2010 « Spectrodatabase » • Heavy relational tables • Handle all of the scientific description specificities

  7. Parameters set model PLANNING 2010 « Spectrodatabase » • Parameters set are a way to store the same meta-datas for different objects • Static values are stored in the object table • More versatile solution, but difficult to handle simply with datamining tools • Necessity of an interoperability layer with communication protocols

  8. Import XML Schema PLANNING 2010 « Spectrodatabase » • Ensures valid XML documents • Human-readable errors

  9. Import XML Templates PLANNING 2010 « Spectrodatabase » • Can be produced by hand or automated • Doesn’t reflect all the complexity of the relational model

  10. VO / VAMDC PLANNING 2010 « Spectrodatabase » • Part of the VAMDC VO, Registered as service • Necessity of a mapping to VAMDC dictionary keywords • Interoperability layer to support the TAP protrocol • Real-time request with ACL acts as a table-view • Query language supported : VAMDC SQL Subset 1 & 2 (VSS) • Output language:XSAMS • http://www.vamdc.org/documents/standards/ • Future evolution : Integration with other VOs

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